SCHEMBL12440286

SCHEMBL12440286

Fc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(N5CCOCC5)cc4)c3)c3cccnc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.43
MAPK10 P53779 2/20 0.43
PIK3CD O00329 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.40
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
SRC P12931 1/20 0.39
LRRK2 Q5S007 1/20 0.38
FYN P06241 1/20 0.38
AOC3 Q16853 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13834445 0.90 CHEK1 (0.43) KDM4EL3MBTL1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL2327284 0.83 CHEK1 (0.43) KDM4EL3MBTL1RPS6KA3RPS6KA2RPS6KA1
SCHEMBL2327236 0.83 ACVR1 (0.44) RPS6KA3
SCHEMBL19791327 0.81 ACVR1 (0.44) RPS6KA3
SCHEMBL13834756 0.80 TDO2 (0.45) SRCMAPK11MAPK14
SCHEMBL2324722 0.80 CYP11B2 (0.40) PIK3CAMAPK1MAPK13MAPK12MAPK11
SCHEMBL15460612 0.80 HRH4 (0.41) PIK3CAALDH1A1RPS6KA3
SCHEMBL12441205 0.80 PIK3CA (0.43) PIK3CAPIK3CDMTORPIK3CGKDM4E
SCHEMBL12440257 0.79 TNIK (0.42) LRRK2SCN2ASCN10A
SCHEMBL12440274 0.78 ACHE (0.46) KDM4EALDH1A1RPS6KA1SRCLRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D PIK3CA 1831/4885MAPK10 3310/4885PIK3CD 2336/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D PIK3CA 1831/4885MAPK10 3310/4885PIK3CD 2336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.